3-{[(4-methylpiperazin-1-yl){[(oxolan-2-yl)methyl]amino}methylidene]amino}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-{[(4-methylpiperazin-1-yl){[(oxolan-2-yl)methyl]amino}methylidene]amino}benzoic acid--trifluoroacetic acid (1/1)
3-{[(4-methylpiperazin-1-yl){[(oxolan-2-yl)methyl]amino}methylidene]amino}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G696-6022 |
| Compound Name: | 3-{[(4-methylpiperazin-1-yl){[(oxolan-2-yl)methyl]amino}methylidene]amino}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 460.45 |
| Molecular Formula: | C18 H26 N4 O3 |
| Salt: | CF3COOH |
| Smiles: | CN1CCN(CC1)C(\NCC1CCCO1)=N/c1cccc(c1)C(O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7198 |
| logD: | 1.7198 |
| logSw: | -2.0841 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.826 |
| InChI Key: | FTEAGXFLWRJIJF-MRXNPFEDSA-N |